sodium (4S,5R,6S)-3-(7-ethanoylimidazo[5,1-b][1,3]thiazol-2-yl)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (4S,5R,6S)-3-(7-ethanoylimidazo[5,1-b][1,3]thiazol-2-yl)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (4S,5R,6S)-3-(7-acetylimidazo[5,1-b]thiazol-2-yl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (4S,5R,6S)-3-(7-acetyl-2-imidazo[5,1-b]thiazolyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (4S,5R,6S)-3-(7-acetylimidazo[5,1-b][1,3]thiazol-2-yl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (4S,5R,6S)-3-(7-acetylimidazo[5,1-b]thiazol-2-yl)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C17H16N3NaO5S MolecularWeight: 397.38081

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1C3=CN4C=NC(=C4S3)C(=O)C)C(=O)[O-])C(C)O.[Na+]

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1C3=CN4C=NC(=C4S3)C(=O)C)C(=O)[O-])[C@@H](C)O.[Na+]

InChI

InChI=1S/C17H17N3O5S.Na/c1-6-10(9-4-19-5-18-12(8(3)22)16(19)26-9)14(17(24)25)20-13(6)11(7(2)21)15(20)23;/h4-7,11,13,21H,1-3H3,(H,24,25);/q;+1/p-1/t6-,7+,11+,13+;/m0./s1